Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester
TL;DR: Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester (CAS 65590-89-8) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-cyano-2-ethenylcyclopropane-1-carboxylate
Also Known As: ethyl 1-cyano-2-ethenylcyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester, Ethyl 1-cyano-2-vinylcyclopropanecarboxylate, J3.624.219A, Ethyl 1-cyano-2-vinylcyclopropanecarboxylate #
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 65590-89-8 |
|---|---|
| SMILES | CCOC(=O)C1(CC1C=C)C#N |
| InChIKey | KLZRWRCZVAZWIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester (CAS 65590-89-8), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: ethyl 1-cyano-2-ethenylcyclopropane-1-carboxylate.
Chemical Property Profile of Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester
Property Insights of Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester. With a topological polar surface area (TPSA) of 50.1 Ų, Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester?
The CAS number of Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester is 65590-89-8.
What is the molecular formula of Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester?
The molecular formula of Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester is C9H11NO2.
What is the molecular weight of Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester?
The molecular weight of Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester is 165.08 g/mol.
Where can I buy Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester?
You can request a quote for Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropanecarboxylic acid, 1-cyano-2-ethenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.